[rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1120 |
| Compound Name: | [rel-(3aR,7aS)-5-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C15 H26 N4 O3 S |
| Smiles: | Cc1cc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)n(C)n1 |
| Stereo: | RELATIVE |
| logP: | -0.7956 |
| logD: | -2.553 |
| logSw: | -1.2629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.259 |
| InChI Key: | NEEDAXDKHYBHSU-UKRRQHHQSA-N |